Chapter 4: Clustering and Classification

Part 2: explore the structure and the dimensions of the data

Loading the Boston data.

# set plots size
knitr::opts_chunk$set(fig.width=16, fig.height=10) 


#code from DataCamp.

#access the MASS package
library (dplyr)
library(MASS)
library(corrplot)
library(tidyr)


#load the data
data("Boston")

#explore the dataset
str(Boston)
## 'data.frame':    506 obs. of  14 variables:
##  $ crim   : num  0.00632 0.02731 0.02729 0.03237 0.06905 ...
##  $ zn     : num  18 0 0 0 0 0 12.5 12.5 12.5 12.5 ...
##  $ indus  : num  2.31 7.07 7.07 2.18 2.18 2.18 7.87 7.87 7.87 7.87 ...
##  $ chas   : int  0 0 0 0 0 0 0 0 0 0 ...
##  $ nox    : num  0.538 0.469 0.469 0.458 0.458 0.458 0.524 0.524 0.524 0.524 ...
##  $ rm     : num  6.58 6.42 7.18 7 7.15 ...
##  $ age    : num  65.2 78.9 61.1 45.8 54.2 58.7 66.6 96.1 100 85.9 ...
##  $ dis    : num  4.09 4.97 4.97 6.06 6.06 ...
##  $ rad    : int  1 2 2 3 3 3 5 5 5 5 ...
##  $ tax    : num  296 242 242 222 222 222 311 311 311 311 ...
##  $ ptratio: num  15.3 17.8 17.8 18.7 18.7 18.7 15.2 15.2 15.2 15.2 ...
##  $ black  : num  397 397 393 395 397 ...
##  $ lstat  : num  4.98 9.14 4.03 2.94 5.33 ...
##  $ medv   : num  24 21.6 34.7 33.4 36.2 28.7 22.9 27.1 16.5 18.9 ...
dim(Boston)
## [1] 506  14
summary(Boston)
##       crim                zn             indus            chas        
##  Min.   : 0.00632   Min.   :  0.00   Min.   : 0.46   Min.   :0.00000  
##  1st Qu.: 0.08205   1st Qu.:  0.00   1st Qu.: 5.19   1st Qu.:0.00000  
##  Median : 0.25651   Median :  0.00   Median : 9.69   Median :0.00000  
##  Mean   : 3.61352   Mean   : 11.36   Mean   :11.14   Mean   :0.06917  
##  3rd Qu.: 3.67708   3rd Qu.: 12.50   3rd Qu.:18.10   3rd Qu.:0.00000  
##  Max.   :88.97620   Max.   :100.00   Max.   :27.74   Max.   :1.00000  
##       nox               rm             age              dis        
##  Min.   :0.3850   Min.   :3.561   Min.   :  2.90   Min.   : 1.130  
##  1st Qu.:0.4490   1st Qu.:5.886   1st Qu.: 45.02   1st Qu.: 2.100  
##  Median :0.5380   Median :6.208   Median : 77.50   Median : 3.207  
##  Mean   :0.5547   Mean   :6.285   Mean   : 68.57   Mean   : 3.795  
##  3rd Qu.:0.6240   3rd Qu.:6.623   3rd Qu.: 94.08   3rd Qu.: 5.188  
##  Max.   :0.8710   Max.   :8.780   Max.   :100.00   Max.   :12.127  
##       rad              tax           ptratio          black       
##  Min.   : 1.000   Min.   :187.0   Min.   :12.60   Min.   :  0.32  
##  1st Qu.: 4.000   1st Qu.:279.0   1st Qu.:17.40   1st Qu.:375.38  
##  Median : 5.000   Median :330.0   Median :19.05   Median :391.44  
##  Mean   : 9.549   Mean   :408.2   Mean   :18.46   Mean   :356.67  
##  3rd Qu.:24.000   3rd Qu.:666.0   3rd Qu.:20.20   3rd Qu.:396.23  
##  Max.   :24.000   Max.   :711.0   Max.   :22.00   Max.   :396.90  
##      lstat            medv      
##  Min.   : 1.73   Min.   : 5.00  
##  1st Qu.: 6.95   1st Qu.:17.02  
##  Median :11.36   Median :21.20  
##  Mean   :12.65   Mean   :22.53  
##  3rd Qu.:16.95   3rd Qu.:25.00  
##  Max.   :37.97   Max.   :50.00

Description:

The Boston data set represent the housing values in Suburbs of Boston.

The Boston data frame has 506 rows and 14 columns.

This data frame contains the following columns:

crim = per capita crime rate by town
zn = proportion of residential land zoned for lots over 25,000 sq.ft
indus = proportion of non-retail business acres per town
chas = Charles River dummy variable (= 1 if tract bounds river; 0 otherwise)
nox = nitrogen oxides concentration (parts per 10 million)
rm = average number of rooms per dwelling
age = proportion of owner-occupied units built prior to 1940
dis = weighted mean of distances to five Boston employment centres
rad = index of accessibility to radial highways
tax = full-value property-tax rate per $10,000
ptratio = pupil-teacher ratio by town
black = 1000(Bk - 0.63)^2 where Bk is the proportion of blacks by town
lstat = lower status of the population (percent)
medv = median value of owner-occupied homes in $1000s

Source:

Harrison, D. and Rubinfeld, D.L. (1978) Hedonic prices and the demand for clean air. J. Environ. Economics and Management 5, 81–102.

Belsley D.A., Kuh, E. and Welsch, R.E. (1980) Regression Diagnostics. Identifying Influential Data and Sources of Collinearity. New York: Wiley.

Part 3: graphical overview of the data

#plot matrix of the variables
pairs(Boston, gap=1/30)

# MASS, corrplot, tidyr and Boston dataset are available

# calculate the correlation matrix and round it
cor_matrix<-cor(Boston) %>% round(digits = 2)

# print the correlation matrix
cor_matrix
##          crim    zn indus  chas   nox    rm   age   dis   rad   tax ptratio
## crim     1.00 -0.20  0.41 -0.06  0.42 -0.22  0.35 -0.38  0.63  0.58    0.29
## zn      -0.20  1.00 -0.53 -0.04 -0.52  0.31 -0.57  0.66 -0.31 -0.31   -0.39
## indus    0.41 -0.53  1.00  0.06  0.76 -0.39  0.64 -0.71  0.60  0.72    0.38
## chas    -0.06 -0.04  0.06  1.00  0.09  0.09  0.09 -0.10 -0.01 -0.04   -0.12
## nox      0.42 -0.52  0.76  0.09  1.00 -0.30  0.73 -0.77  0.61  0.67    0.19
## rm      -0.22  0.31 -0.39  0.09 -0.30  1.00 -0.24  0.21 -0.21 -0.29   -0.36
## age      0.35 -0.57  0.64  0.09  0.73 -0.24  1.00 -0.75  0.46  0.51    0.26
## dis     -0.38  0.66 -0.71 -0.10 -0.77  0.21 -0.75  1.00 -0.49 -0.53   -0.23
## rad      0.63 -0.31  0.60 -0.01  0.61 -0.21  0.46 -0.49  1.00  0.91    0.46
## tax      0.58 -0.31  0.72 -0.04  0.67 -0.29  0.51 -0.53  0.91  1.00    0.46
## ptratio  0.29 -0.39  0.38 -0.12  0.19 -0.36  0.26 -0.23  0.46  0.46    1.00
## black   -0.39  0.18 -0.36  0.05 -0.38  0.13 -0.27  0.29 -0.44 -0.44   -0.18
## lstat    0.46 -0.41  0.60 -0.05  0.59 -0.61  0.60 -0.50  0.49  0.54    0.37
## medv    -0.39  0.36 -0.48  0.18 -0.43  0.70 -0.38  0.25 -0.38 -0.47   -0.51
##         black lstat  medv
## crim    -0.39  0.46 -0.39
## zn       0.18 -0.41  0.36
## indus   -0.36  0.60 -0.48
## chas     0.05 -0.05  0.18
## nox     -0.38  0.59 -0.43
## rm       0.13 -0.61  0.70
## age     -0.27  0.60 -0.38
## dis      0.29 -0.50  0.25
## rad     -0.44  0.49 -0.38
## tax     -0.44  0.54 -0.47
## ptratio -0.18  0.37 -0.51
## black    1.00 -0.37  0.33
## lstat   -0.37  1.00 -0.74
## medv     0.33 -0.74  1.00
# visualize the correlation matrix
corrplot(cor_matrix, method="circle", type="upper", cl.pos="b", tl.pos="d", tl.cex = 0.6)

corrplot(cor_matrix, method = 'number', type="upper")

Looking at the data, we see that medv has a positive correlation with rm and a negative correlation with lstat. This make sense as a house would have a higher price based on the number of rooms. As well, house located in a lower status population area would have a lower price. We also see that nox has a positive correlation with indus and age. nox has a negative correlation with dis. The higher the number of industry, the higher the emission of nitrogen oxides. Older houses would probably be mostly in old industrial areas of the city. medv has a positive correlation with crim but only at 0.33. At first glance, the value of houses is mainly due to th e number of rooms per dwelling. Taxes has a small negative correlation with medv.

Part 4: standardize the dataset

During scaling of the data, the mean is subtracted from the column and the difference is divided by the standard deviation. This is an example of the data before and after scaling.
Before:
row 1: rm = 6.575
After:
row 1: rm = 0.413262920

# center and standardize variables
boston_scaled <- scale(Boston)

# summaries of the scaled variables
summary(boston_scaled)
##       crim                 zn               indus              chas        
##  Min.   :-0.419367   Min.   :-0.48724   Min.   :-1.5563   Min.   :-0.2723  
##  1st Qu.:-0.410563   1st Qu.:-0.48724   1st Qu.:-0.8668   1st Qu.:-0.2723  
##  Median :-0.390280   Median :-0.48724   Median :-0.2109   Median :-0.2723  
##  Mean   : 0.000000   Mean   : 0.00000   Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 0.007389   3rd Qu.: 0.04872   3rd Qu.: 1.0150   3rd Qu.:-0.2723  
##  Max.   : 9.924110   Max.   : 3.80047   Max.   : 2.4202   Max.   : 3.6648  
##       nox                rm               age               dis         
##  Min.   :-1.4644   Min.   :-3.8764   Min.   :-2.3331   Min.   :-1.2658  
##  1st Qu.:-0.9121   1st Qu.:-0.5681   1st Qu.:-0.8366   1st Qu.:-0.8049  
##  Median :-0.1441   Median :-0.1084   Median : 0.3171   Median :-0.2790  
##  Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 0.5981   3rd Qu.: 0.4823   3rd Qu.: 0.9059   3rd Qu.: 0.6617  
##  Max.   : 2.7296   Max.   : 3.5515   Max.   : 1.1164   Max.   : 3.9566  
##       rad               tax             ptratio            black        
##  Min.   :-0.9819   Min.   :-1.3127   Min.   :-2.7047   Min.   :-3.9033  
##  1st Qu.:-0.6373   1st Qu.:-0.7668   1st Qu.:-0.4876   1st Qu.: 0.2049  
##  Median :-0.5225   Median :-0.4642   Median : 0.2746   Median : 0.3808  
##  Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 1.6596   3rd Qu.: 1.5294   3rd Qu.: 0.8058   3rd Qu.: 0.4332  
##  Max.   : 1.6596   Max.   : 1.7964   Max.   : 1.6372   Max.   : 0.4406  
##      lstat              medv        
##  Min.   :-1.5296   Min.   :-1.9063  
##  1st Qu.:-0.7986   1st Qu.:-0.5989  
##  Median :-0.1811   Median :-0.1449  
##  Mean   : 0.0000   Mean   : 0.0000  
##  3rd Qu.: 0.6024   3rd Qu.: 0.2683  
##  Max.   : 3.5453   Max.   : 2.9865
# class of the boston_scaled object
class(boston_scaled)
## [1] "matrix" "array"
# change the object to data frame
boston_scaled <- as.data.frame(boston_scaled)

Use the quantiles as the break points in the categorical variable and divide the dataset to train and test sets

# summary of the scaled crime rate
summary(boston_scaled$crim)
##      Min.   1st Qu.    Median      Mean   3rd Qu.      Max. 
## -0.419367 -0.410563 -0.390280  0.000000  0.007389  9.924110
# create a quantile vector of crim and print it
bins <- quantile(boston_scaled$crim)
bins
##           0%          25%          50%          75%         100% 
## -0.419366929 -0.410563278 -0.390280295  0.007389247  9.924109610
# create a categorical variable 'crime'
crime <- cut(boston_scaled$crim, breaks = bins, include.lowest = TRUE, labels = c("low", "med_low", "med_high", "high"))

# look at the table of the new factor crime
table(crime)
## crime
##      low  med_low med_high     high 
##      127      126      126      127
# remove original crim from the dataset
boston_scaled <- dplyr::select(boston_scaled, -crim)

# add the new categorical value to scaled data
boston_scaled <- data.frame(boston_scaled, crime)

# number of rows in the Boston dataset 
n <- nrow(boston_scaled)

# choose randomly 80% of the rows
ind <- sample(n,  size = n * 0.8)

# create train set
train <- boston_scaled[ind,]

# create test set 
test <- boston_scaled[-ind,]
# save the correct classes from test data
correct_classes <- test$crime

# remove the crime variable from test data
test <- dplyr::select(test, -crime)

Now, 80% of the data belongs to the train set. Saved the crime categories from the test set and removed the categorical crime variable from the test dataset.

Part 5: linear discriminant analysis

# linear discriminant analysis
lda.fit <- lda(crime ~ ., data = train)

# print the lda.fit object
lda.fit
## Call:
## lda(crime ~ ., data = train)
## 
## Prior probabilities of groups:
##       low   med_low  med_high      high 
## 0.2326733 0.2599010 0.2574257 0.2500000 
## 
## Group means:
##                  zn      indus          chas        nox          rm        age
## low       0.9420737 -0.9100351 -0.1466769325 -0.8779834  0.39012753 -0.8862989
## med_low  -0.1154342 -0.2588118  0.0276404741 -0.5440944 -0.11821937 -0.3753394
## med_high -0.3866438  0.1822975  0.1062382627  0.3452508  0.09497491  0.3621578
## high     -0.4872402  1.0171306  0.0005392655  1.0518773 -0.46891266  0.8092531
##                 dis        rad        tax     ptratio       black       lstat
## low       0.9370073 -0.6849803 -0.7416949 -0.43497806  0.37824493 -0.74897671
## med_low   0.2846338 -0.5585791 -0.4739892 -0.07184181  0.32146978 -0.18736929
## med_high -0.3503424 -0.3888647 -0.2922584 -0.23128799  0.05194819  0.04768121
## high     -0.8490243  1.6379981  1.5139626  0.78062517 -0.73848267  0.83917220
##                 medv
## low       0.43852403
## med_low   0.02625602
## med_high  0.18033283
## high     -0.63290848
## 
## Coefficients of linear discriminants:
##                  LD1          LD2        LD3
## zn       0.126575584  0.792867221 -0.8481244
## indus    0.005201058 -0.228673416  0.2843291
## chas    -0.075078528 -0.008113732  0.1798857
## nox      0.381671219 -0.652168067 -1.4957761
## rm      -0.137186163 -0.121609726 -0.2138480
## age      0.304423457 -0.188827681 -0.2310376
## dis     -0.040766424 -0.207189069 -0.1558653
## rad      3.055104822  1.034843173 -0.1331417
## tax     -0.054543581 -0.145360642  0.7124490
## ptratio  0.135527867 -0.010757572 -0.2762576
## black   -0.147054901  0.046438934  0.1365084
## lstat    0.242166019 -0.390852459  0.1614414
## medv     0.231479519 -0.520393302 -0.3194708
## 
## Proportion of trace:
##    LD1    LD2    LD3 
## 0.9470 0.0399 0.0131
# the function for lda biplot arrows
lda.arrows <- function(x, myscale = 1, arrow_heads = 0.1, color = "orange", tex = 0.75, choices = c(1,2)){
  heads <- coef(x)
  arrows(x0 = 0, y0 = 0, 
         x1 = myscale * heads[,choices[1]], 
         y1 = myscale * heads[,choices[2]], col=color, length = arrow_heads)
  text(myscale * heads[,choices], labels = row.names(heads), 
       cex = tex, col=color, pos=3)
}

# target classes as numeric
classes <- as.numeric(train$crime)

# plot the lda results
plot(lda.fit, dimen = 2, col = classes, pch = classes)
lda.arrows(lda.fit, myscale = 1)

Part 6: Save the crime categories

# predict classes with test data
lda.pred <- predict(lda.fit, newdata = test)

# cross tabulate the results
table(correct = correct_classes, predicted = lda.pred$class)
##           predicted
## correct    low med_low med_high high
##   low       19      11        3    0
##   med_low    5      11        5    0
##   med_high   0       6       16    0
##   high       0       0        0   26

The best predictions are for high. Also, the model does not predict very well med_high. We can see in the LD plot that med_high and med_low are in the same side. The model predicts high correctly because the distance between high and low, med_low, and med_high is large.

Part 7: Reload the Boston dataset and standardize the dataset

# load MASS and Boston
library(MASS)
data('Boston')

# scale data
Boston = as.data.frame(scale(Boston))

# euclidean distance matrix
dist_eu <- dist(Boston)

# look at the summary of the distances
summary(dist_eu)
##    Min. 1st Qu.  Median    Mean 3rd Qu.    Max. 
##  0.1343  3.4625  4.8241  4.9111  6.1863 14.3970
# manhattan distance matrix
dist_man <- dist(Boston, method = 'manhattan')

# look at the summary of the distances
summary(dist_man)
##    Min. 1st Qu.  Median    Mean 3rd Qu.    Max. 
##  0.2662  8.4832 12.6090 13.5488 17.7568 48.8618

cluster with centers = 3

# k-means clustering
km <-kmeans(Boston, centers = 3)

# plot the Boston dataset with clusters
pairs(Boston[6:10], col = km$cluster)

cluster with centers = 1

# k-means clustering
km <-kmeans(Boston, centers = 1)

# plot the Boston dataset with clusters
pairs(Boston[6:10], col = km$cluster)

cluster with centers = 2

# k-means clustering
km <-kmeans(Boston, centers = 2)

# plot the Boston dataset with clusters
pairs(Boston[6:10], col = km$cluster)

The cluster with centers = 3 seems to be the best.

Bonus and super bonus

library(ggplot2)
# Boston dataset is available
set.seed(123)

# determine the number of clusters
k_max <- 10

# calculate the total within sum of squares
twcss <- sapply(1:k_max, function(k){kmeans(Boston, k)$tot.withinss})

# visualize the results
qplot(x = 1:k_max, y = twcss, geom = 'line')

# k-means clustering
km <-kmeans(Boston, centers = 2)

# plot the Boston dataset with clusters
pairs(Boston, col = km$cluster)

model_predictors <- dplyr::select(train, -crime)

# check the dimensions
dim(model_predictors)
## [1] 404  13
dim(lda.fit$scaling)
## [1] 13  3
# matrix multiplication
matrix_product <- as.matrix(model_predictors) %*% lda.fit$scaling
matrix_product <- as.data.frame(matrix_product)


#install.packages("plotly")
library(plotly)
plot_ly(x = matrix_product$LD1, y = matrix_product$LD2, z = matrix_product$LD3, type= 'scatter3d', mode='markers')